njzjz/deepmd-kit

comput the input for vaccum when setting remove_vaccum_contribution

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Idealy, the input for vaccum should be computed;
we consider it as always zero for convenience.
Needs a compute_input_stats for vaccum passed from the
descriptor.

Line: 316

)
xx = descriptor
if self.remove_vaccum_contribution is not None:
# TODO: comput the input for vaccum when setting remove_vaccum_contribution
# Idealy, the input for vaccum should be computed;
# we consider it as always zero for convenience.
# Needs a compute_input_stats for vaccum passed from the
# descriptor.
xx_zeros = np.zeros_like(xx)
else:
xx_zeros = None